N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide

C28H42N4O4 — CID 135973968

IUPACN-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide
SMILESO=C1CN2Cc3cccc(OCCCCCC(=O)N(CCO)CCCCC4CCCCC4)c3N=C2N1
InChIInChI=1S/C28H42N4O4/c33-18-17-31(16-7-6-12-22-10-3-1-4-11-22)26(35)15-5-2-8-19-36-24-14-9-13-23-20-32-21-25(34)29-28(32)30-27(23)24/h9,13-14,22,33H,1-8,10-12,15-21H2,(H,29,30,34)
InChIKeyVIYXDEOWAZXVFG-UHFFFAOYSA-N
MW498.67 g/mol
LogP4.13
Rot. Bonds14

About N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide

N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide (PubChem CID 135973968) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide.

Molecular Properties

Compound NameN-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide
PubChem CID135973968
Molecular FormulaC28H42N4O4
Molecular Weight498.67 g/mol
Exact Mass498.32
IUPAC NameN-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide
SMILESO=C1CN2Cc3cccc(OCCCCCC(=O)N(CCO)CCCCC4CCCCC4)c3N=C2N1
InChIInChI=1S/C28H42N4O4/c33-18-17-31(16-7-6-12-22-10-3-1-4-11-22)26(35)15-5-2-8-19-36-24-14-9-13-23-20-32-21-25(34)29-28(32)30-27(23)24/h9,13-14,22,33H,1-8,10-12,15-21H2,(H,29,30,34)
InChIKeyVIYXDEOWAZXVFG-UHFFFAOYSA-N
XLogP4.13
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-2-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]acetamide
CID 135626534
N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide
CID 135626702
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
CID 135626550
N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide
CID 135626317
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770
N-(cyclopentylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626766
N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
CID 135626803
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide
CID 54203867
N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
CID 135626852
N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide
CID 135626503
N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]pentanamide
CID 135626518
1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
CID 135626469

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide?
The IUPAC name of N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide (CID 135973968) is N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide.
What is the SMILES notation for N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide?
The canonical SMILES for N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide is O=C1CN2Cc3cccc(OCCCCCC(=O)N(CCO)CCCCC4CCCCC4)c3N=C2N1.
What is the InChIKey of N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide?
The InChIKey is VIYXDEOWAZXVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O4/c33-18-17-31(16-7-6-12-22-10-3-1-4-11-22)26(35)15-5-2-8-19-36-24-14-9-13-23-20-32-21-25(34)29-28(32)30-27(23)24/h9,13-14,22,33H,1-8,10-12,15-21H2,(H,29,30,34).
What are the key properties of N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide?
N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide has a molecular weight of 498.67 g/mol, XLogP of 4.13, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide is sourced from PubChem (CID 135973968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).